2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one

C14H16N2OS — CID 83196997

IUPAC2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one
SMILESO=C1C2CSCC2=NN1CCCc1ccccc1
InChIInChI=1S/C14H16N2OS/c17-14-12-9-18-10-13(12)15-16(14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKeyUGSHIKGNRWXTNL-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one

2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one (PubChem CID 83196997) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one
PubChem CID83196997
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one
SMILESO=C1C2CSCC2=NN1CCCc1ccccc1
InChIInChI=1S/C14H16N2OS/c17-14-12-9-18-10-13(12)15-16(14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKeyUGSHIKGNRWXTNL-UHFFFAOYSA-N
XLogP2.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55167339
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CID 86111548
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
CID 66075288
3-phenylpropan-1-ol;1,2-thiazol-4-one
CID 174621382
4-phenylbutylbenzene
CID 141301927
1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
CID 12954845
4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine
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3-phenylpropyl 3-(cyclohexylcarbamoyl)-1,3-thiazolidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one?
The IUPAC name of 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one (CID 83196997) is 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one is O=C1C2CSCC2=NN1CCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one?
The InChIKey is UGSHIKGNRWXTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14-12-9-18-10-13(12)15-16(14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2.
What are the key properties of 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one?
2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one has a molecular weight of 260.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83196997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).